(1S)-4-(azepan-1-ium-1-yl)-1-phenyl-1-pyridin-3-yl-but-2-yn-1-ol

Systemtic Name: (1S)-4-(azepan-1-ium-1-yl)-1-phenyl-1-pyridin-3-yl-but-2-yn-1-ol Openeye Name: (1S)-4-(azepan-1-ium-1-yl)-1-phenyl-1-(3-pyridyl)but-2-yn-1-ol CAS Name: (1S)-4-(1-azepan-1-iumyl)-1-phenyl-1-(3-pyridinyl)-2-butyn-1-ol IUPAC Name: (1S)-4-(azepan-1-ium-1-yl)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol Traditional Name: (1S)-4-(azepan-1-ium-1-yl)-1-phenyl-1-(3-pyridyl)but-2-yn-1-ol Formula: C21H25N2O+ MolecularWeight: 321.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC#CC(C2=CC=CC=C2)(C3=CN=CC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)CC#C[C@@](C2=CC=CC=C2)(C3=CN=CC=C3)O

InChI

InChI=1S/C21H24N2O/c24-21(19-10-4-3-5-11-19,20-12-8-14-22-18-20)13-9-17-23-15-6-1-2-7-16-23/h3-5,8,10-12,14,18,24H,1-2,6-7,15-17H2/p+1/t21-/m1/s1